(12aβ,14aS)-13,14-Dihydro-8α-methyl-6aα,8aα-methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione
Product Name
(12aβ,14aS)-13,14-Dihydro-8α-methyl-6aα,8aα-methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione
Description
Meloscandonine is a natural plant alkaloid isolated from the root barks of Melodinus yunnanensis.
Synonyms
(12aβ,14aS)-13,14-Dihydro-8α-methyl-6aα,8aα-methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione; (1S,10R,12R,13R,20S)-12-Methyl-8,17-diazahexacyclo[11.6.1.110,13.01,10.02,7.017,20]henicosa-2,4,6,14-tetraene-9,11-dione
IUPAC Name
(1S,10R,12R,13R,20S)-12-methyl-8,17-diazahexacyclo[11.6.1.110,13.01,10.02,7.017,20]henicosa-2,4,6,14-tetraene-9,11-dione
Molecular Formula
C20H20N2O2
Canonical SMILES
CC1C(=O)C23CC14C=CCN5C4C2(CC5)C6=CC=CC=C6NC3=O
InChI
InChI=1S/C20H20N2O2/c1-12-15(23)20-11-18(12)7-4-9-22-10-8-19(20,16(18)22)13-5-2-3-6-14(13)21-17(20)24/h2-7,12,16H,8-11H2,1H3,(H,21,24)/t12-,16-,18-,19+,20+/m0/s1
InChIKey
RVVXEECWQBKQNP-DJKGFLTMSA-N
Boiling Point
578.3±50.0°C (Predicted)
Density
1.40±0.1 g/cm3(Predicted)
pKa
12.55±0.40(Predicted)